Mol:FL7AAGGL0001
From Metabolomics.JP
(Difference between revisions)
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| − | 52 53 2 0 0 0 0 | + | 52 53 2 0 0 0 0 |
| − | 52 54 1 0 0 0 0 | + | 52 54 1 0 0 0 0 |
| − | 54 55 2 0 0 0 0 | + | 54 55 2 0 0 0 0 |
| − | 55 56 1 0 0 0 0 | + | 55 56 1 0 0 0 0 |
| − | 56 57 2 0 0 0 0 | + | 56 57 2 0 0 0 0 |
| − | 57 58 1 0 0 0 0 | + | 57 58 1 0 0 0 0 |
| − | 58 59 2 0 0 0 0 | + | 58 59 2 0 0 0 0 |
| − | 59 60 1 0 0 0 0 | + | 59 60 1 0 0 0 0 |
| − | 60 61 2 0 0 0 0 | + | 60 61 2 0 0 0 0 |
| − | 61 56 1 0 0 0 0 | + | 61 56 1 0 0 0 0 |
| − | 59 62 1 0 0 0 0 | + | 59 62 1 0 0 0 0 |
| − | 60 63 1 0 0 0 0 | + | 60 63 1 0 0 0 0 |
| − | 48 64 1 0 0 0 0 | + | 48 64 1 0 0 0 0 |
| − | 64 65 1 0 0 0 0 | + | 64 65 1 0 0 0 0 |
| − | 65 66 2 0 0 0 0 | + | 65 66 2 0 0 0 0 |
| − | 65 67 1 0 0 0 0 | + | 65 67 1 0 0 0 0 |
| − | 67 68 2 0 0 0 0 | + | 67 68 2 0 0 0 0 |
| − | 68 69 1 0 0 0 0 | + | 68 69 1 0 0 0 0 |
| − | 69 70 2 0 0 0 0 | + | 69 70 2 0 0 0 0 |
| − | 70 71 1 0 0 0 0 | + | 70 71 1 0 0 0 0 |
| − | 71 72 2 0 0 0 0 | + | 71 72 2 0 0 0 0 |
| − | 72 73 1 0 0 0 0 | + | 72 73 1 0 0 0 0 |
| − | 73 74 2 0 0 0 0 | + | 73 74 2 0 0 0 0 |
| − | 74 69 1 0 0 0 0 | + | 74 69 1 0 0 0 0 |
| − | 72 75 1 0 0 0 0 | + | 72 75 1 0 0 0 0 |
| − | 73 76 1 0 0 0 0 | + | 73 76 1 0 0 0 0 |
| − | 52 77 1 0 0 0 0 | + | 52 77 1 0 0 0 0 |
| − | 77 38 1 0 0 0 0 | + | 77 38 1 0 0 0 0 |
| − | 14 78 1 0 0 0 0 | + | 14 78 1 0 0 0 0 |
| − | 13 79 1 0 0 0 0 | + | 13 79 1 0 0 0 0 |
| − | 51 15 1 0 0 0 0 | + | 51 15 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AAGGL0001 | + | ID FL7AAGGL0001 |
| − | KNApSAcK_ID C00002379 | + | KNApSAcK_ID C00002379 |
| − | NAME Gentiodelphin;Delphinidin 3-glucoside-5,3'-di-(6-caffeoylglucoside) | + | NAME Gentiodelphin;Delphinidin 3-glucoside-5,3'-di-(6-caffeoylglucoside) |
| − | CAS_RN 84331-34-0 | + | CAS_RN 84331-34-0 |
| − | FORMULA C51H53O28 | + | FORMULA C51H53O28 |
| − | EXACTMASS 1113.272336112 | + | EXACTMASS 1113.272336112 |
| − | AVERAGEMASS 1113.94972 | + | AVERAGEMASS 1113.94972 |
| − | SMILES c(c(O)1)(O)c(OC(C7O)OC(COC(C=Cc(c8)cc(O)c(O)c8)=O)C(C7O)O)cc(c([o+1]3)c(cc(c4OC(O5)C(C(C(C5COC(C=Cc(c6)ccc(O)c(O)6)=O)O)O)O)c3cc(c4)O)OC(C2O)OC(C(C2O)O)CO)c1 | + | SMILES c(c(O)1)(O)c(OC(C7O)OC(COC(C=Cc(c8)cc(O)c(O)c8)=O)C(C7O)O)cc(c([o+1]3)c(cc(c4OC(O5)C(C(C(C5COC(C=Cc(c6)ccc(O)c(O)6)=O)O)O)O)c3cc(c4)O)OC(C2O)OC(C(C2O)O)CO)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
79 86 0 0 0 0 0 0 0 0999 V2000
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S SKP 8
ID FL7AAGGL0001
KNApSAcK_ID C00002379
NAME Gentiodelphin;Delphinidin 3-glucoside-5,3'-di-(6-caffeoylglucoside)
CAS_RN 84331-34-0
FORMULA C51H53O28
EXACTMASS 1113.272336112
AVERAGEMASS 1113.94972
SMILES c(c(O)1)(O)c(OC(C7O)OC(COC(C=Cc(c8)cc(O)c(O)c8)=O)C(C7O)O)cc(c([o+1]3)c(cc(c4OC(O5)C(C(C(C5COC(C=Cc(c6)ccc(O)c(O)6)=O)O)O)O)c3cc(c4)O)OC(C2O)OC(C(C2O)O)CO)c1
M END
